Crystallography Open Database

Information card for entry 4074856

Preview

Coordinates	4074856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H37 N Ni P2
Calculated formula	C40 H37 N Ni P2
SMILES	[Ni]12([P](c3ccccc3)(c3ccccc3)c3ccccc3N2c2ccccc2[P]1(c1ccccc1)c1ccccc1)CCCC
Title of publication	Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity
Authors of publication	Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	6
Pages of publication	1399 - 1411
a	17.1579 ± 0.0004 Å
b	9.4672 ± 0.0002 Å
c	22.0701 ± 0.0006 Å
α	90°
β	110.489 ± 0.0009°
γ	90°
Cell volume	3358.22 ± 0.14 Å³
Cell temperature	298 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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